[3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine

C14H14FNO — CID 81446738

IUPAC[3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine
SMILESCOc1ccccc1-c1ccc(CN)cc1F
InChIInChI=1S/C14H14FNO/c1-17-14-5-3-2-4-12(14)11-7-6-10(9-16)8-13(11)15/h2-8H,9,16H2,1H3
InChIKeyXJDOMKYIDMYZTJ-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.96
Rot. Bonds3

About [3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine

[3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine (PubChem CID 81446738) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is [3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine
PubChem CID81446738
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name[3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine
SMILESCOc1ccccc1-c1ccc(CN)cc1F
InChIInChI=1S/C14H14FNO/c1-17-14-5-3-2-4-12(14)11-7-6-10(9-16)8-13(11)15/h2-8H,9,16H2,1H3
InChIKeyXJDOMKYIDMYZTJ-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 116810937
N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 81447834
[3-methoxy-4-(2-methylphenyl)phenyl]methanamine
CID 154814905
[4-(3,4-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 81446939
2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
CID 155698567
3-fluoro-4-(2-methoxyphenyl)phenol
CID 53219300
4-bromo-2-fluoro-1-(2-methoxyphenyl)benzene
CID 67003117
[5-chloro-2-(2-methoxyphenyl)phenyl]methanamine
CID 66160291
[3-fluoro-4-[(2-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 61291113
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
(4-methoxy-3-pyridin-2-ylphenyl)methanamine
CID 82508814
2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline
CID 171921707

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine (CID 81446738) is [3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine is COc1ccccc1-c1ccc(CN)cc1F.
What is the InChIKey of [3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine?
The InChIKey is XJDOMKYIDMYZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-17-14-5-3-2-4-12(14)11-7-6-10(9-16)8-13(11)15/h2-8H,9,16H2,1H3.
What are the key properties of [3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine?
[3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine has a molecular weight of 231.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(2-methoxyphenyl)phenyl]methanamine is sourced from PubChem (CID 81446738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).